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CAS No.: | 3543-46-2 |
---|---|
Name: | 5-Bromo-4-phenylpyrimidine |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C10H7BrN2 |
Molecular Weight: | 235.083 |
Synonyms: | 5-Bromo-4-phenylpyrimidine; |
Density: | 1.493 g/cm3 |
Boiling Point: | 332.6 °C at 760 mmHg |
Flash Point: | 155 °C |
PSA: | 25.78000 |
LogP: | 2.90610 |
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The Pyrimidine,5-bromo-4-phenyl-, with the CAS registry number 3543-46-2. It belongs to the product categories of Blocks; Bromides. This chemical's molecular formula is C10H7BrN2 and molecular weight is 235.08. What's more, its systematic name is 5-Bromo-4-phenylpyrimidine.
Physical properties of Pyrimidine,5-bromo-4-phenyl- are: (1)ACD/LogP: 2.71; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 25.78 Å2; (7)Index of Refraction: 1.612; (8)Molar Refractivity: 54.71 cm3; (9)Molar Volume: 157.3 cm3; (10)Polarizability: 21.69×10-24 cm3; (11)Surface Tension: 50.4 dyne/cm; (12)Density: 1.493 g/cm3; (13)Flash Point: 155 °C; (14)Enthalpy of Vaporization: 55.26 kJ/mol; (15)Boiling Point: 332.6 °C at 760 mmHg; (16)Vapour Pressure: 0.000279 mmHg at 25 °C.
Preparation: this chemical can be prepared by 4-phenyl-pyrimidine at the temperature of 0-5 °C. This reaction will need reagents (1)40percent HBr, H2SO4; (2)sodium nitrite and solvent H2O with the reaction time of 1 hour. The yield is about 50%.
Uses of Pyrimidine,5-bromo-4-phenyl-: it can be used to produce 4-phenyl-pyrimidine and 5-Hydroxy-4-phenylpyrimidine at the temperature of 180 °C. It will need reagent sodium methoxide and solvent methanol with the reaction time of 8 hours. The yield is about 72%.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1c(ncnc1)c2ccccc2
(2)InChI: InChI=1/C10H7BrN2/c11-9-6-12-7-13-10(9)8-4-2-1-3-5-8/h1-7H
(3)InChIKey: SDPYFZLDWYNXJF-UHFFFAOYAP